3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

C22H29N3O4S — CID 26269159

IUPAC3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1C
InChIInChI=1S/C22H29N3O4S/c1-4-25(5-2)30(27,28)21-16-18(7-6-17(21)3)22(26)23-19-8-10-20(11-9-19)24-12-14-29-15-13-24/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyDMIHFXRCEVGICM-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.11
Rot. Bonds7

About 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 26269159) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID26269159
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1C
InChIInChI=1S/C22H29N3O4S/c1-4-25(5-2)30(27,28)21-16-18(7-6-17(21)3)22(26)23-19-8-10-20(11-9-19)24-12-14-29-15-13-24/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyDMIHFXRCEVGICM-UHFFFAOYSA-N
XLogP3.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 26654935
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide
CID 46977366
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100520064
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 174437444
3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55905014
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 26269159) is 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is DMIHFXRCEVGICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-4-25(5-2)30(27,28)21-16-18(7-6-17(21)3)22(26)23-19-8-10-20(11-9-19)24-12-14-29-15-13-24/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 26269159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).